SCHEMBL2681682

SCHEMBL2681682

CCOC(=O)c1cc(OCc2ccccc2)c(F)cc1NC1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 7/20 0.49
▸ BRD4 O60885 4/20 0.47
▸ PPIA P62937 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ CTSV O60911 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL582525 0.88 CTSV (0.50) BRD4CTSVCTSL
SCHEMBL11922624 0.82 ALDH1A1 (0.47) BRD4CTSVCTSLMAPK1SMN1; SMN2
SCHEMBL2684142 0.79 NPC1 (0.55) BRD4CTSVCTSLMAPK1SMN1; SMN2
SCHEMBL2684149 0.77 ALDH1A1 (0.49) BRD4PPIAALOX15SMN1; SMN2HSD17B10
SCHEMBL4503743 0.77 ALOX15 (0.50) PDE4BALOX15
SCHEMBL23901157 0.74 OPRK1 (0.53) PDE4BALOX15
SCHEMBL2682298 0.74 CTSV (0.49) BRD4PPIACTSVCTSLSMN1; SMN2
SCHEMBL23796824 0.73 MEN1 (0.60) PPIAMAPK1
SCHEMBL1693608 0.70 PDE4B (0.58) PDE4BALOX15MAPK1NPSR1
SCHEMBL6799507 0.70 GAA (0.49) PDE4BALOX15SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722659-B2 Quinazolinedione derivatives, preparation thereof and various therapeutic uses thereof SANOFI (FR) 2014-05-13 — — US disclosed
US-8722659-B2 Quinazolinedione derivatives, preparation thereof and various therapeutic uses thereof SANOFI (FR) 2014-05-13 — — US disclosed
US-8722659-B2 Quinazolinedione derivatives, preparation thereof and various therapeutic uses thereof SANOFI (FR) 2014-05-13 — — US disclosed
US-20120115846-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF. SANOFI (FR) 2012-05-10 — — US disclosed
US-20120115846-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF. SANOFI (FR) 2012-05-10 — — US disclosed
US-20120115846-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF. SANOFI (FR) 2012-05-10 — — US disclosed
WO-2010116088-A2 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF SANOFI-AVENTIS (FR) 2010-10-14 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120115846-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF. CYP27B1, NDUFB3, MT-ND5 PDE4B 893/4885BRD4 632/4885PPIA 1277/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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